UCSF

ZINC37030970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.19 5.73 -51.95 4 4 1 81 266.324 4
Mid Mid (pH 6-8) 0.19 5.4 -14.3 3 4 0 79 265.316 4

Activity (Go SEA)

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