UCSF

ZINC95944480

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2014 14 No

Other Names:

MFCD00065028

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) 1.43 3.27 -9.47 1 3 0 50 185.182 1
Hi High (pH 8-9.5) 1.89 0.7 -49 0 3 -1 53 184.174 1

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

No pre-computed analogs available. Try a structural similarity search.