UCSF

ZINC19851602

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 29 No

Popular Name: 2-amino-4-(3-methoxy-4-propoxyphenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 2-amino-4-(3-methoxy-4-propoxyph…

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Other Names:

MFCD02950093

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.14 9.01 -11.04 2 6 0 116 388.471 5 ↓
Lo Low (pH 4.5-6) 4.14 8.84 -53.39 3 6 1 117 389.479 5 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )