UCSF

ZINC36431225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 18 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) 6.05 12.41 -43.28 0 2 -1 40 253.406 12
Lo Low (pH 4.5-6) 6.05 10.44 -4.99 1 2 0 37 254.414 12

Activity (Go SEA)

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