UCSF

ZINC40163030

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 28 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) 3.69 10.8 -39.84 2 5 1 59 380.443 4
Mid Mid (pH 6-8) 4.15 8.93 -46.09 1 5 0 62 379.435 4

Activity (Go SEA)

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