UCSF

ZINC53133132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 1.88 3.36 -9.35 2 5 0 78 252.277 3
Lo Low (pH 4.5-6) 1.88 3.83 -35.48 3 5 1 79 253.285 3

Activity (Go SEA)

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