UCSF

ZINC37375058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.58 6.52 -42.11 2 4 1 42 237.352 5
Lo Low (pH 4.5-6) 1.58 6.97 -78.23 3 4 2 43 238.36 5

Activity (Go SEA)

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