UCSF

ZINC36614129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 31 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) 3.84 12.53 -45.99 1 7 1 65 431.463 7
Mid Mid (pH 6-8) 3.84 10.31 -12.72 0 7 0 64 430.455 7

Activity (Go SEA)

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