UCSF

ZINC29063721

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 32 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) 4.86 13.18 -57 2 5 1 52 496.425 7
Mid Mid (pH 6-8) 4.86 10.86 -15.36 1 5 0 51 495.417 7

Activity (Go SEA)

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