UCSF

ZINC13678105

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 13 Yes

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) 0.24 1.91 -12.14 1 6 0 76 193.191 0
Mid Mid (pH 6-8) 0.70 0.81 -47.7 0 6 -1 79 192.183 0
Mid Mid (pH 6-8) 0.24 1.89 -11.2 1 6 0 76 193.191 0
Mid Mid (pH 6-8) 0.24 1.82 -13.3 1 6 0 76 193.191 0

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

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