UCSF

ZINC37269498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 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) 1.93 6.94 -113.08 3 2 2 21 194.322 5
Mid Mid (pH 6-8) 1.93 4.96 -39.17 2 2 1 20 193.314 5

Activity (Go SEA)

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