UCSF

ZINC37406632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 0.88 0.86 -93.99 1 7 -2 118 271.232 4
Lo Low (pH 4.5-6) 0.43 2.7 -52.24 2 7 -1 115 272.24 4

Activity (Go SEA)

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