UCSF

ZINC40402727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 21 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) 1.56 4.97 -60.51 1 6 -1 87 291.327 8
Mid Mid (pH 6-8) 1.56 5.26 -57.48 2 6 0 89 292.335 8

Activity (Go SEA)

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