UCSF

ZINC36747147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) -0.18 1.68 -68.97 3 6 -1 112 241.267 5
Lo Low (pH 4.5-6) -0.18 -0.3 -21.14 4 6 0 109 242.275 5

Activity (Go SEA)

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