UCSF

ZINC37833330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.27 5.16 -50.05 0 5 -1 73 241.292 5
Lo Low (pH 4.5-6) -0.27 3.19 -11.71 1 5 0 71 242.3 5

Activity (Go SEA)

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