UCSF

ZINC20194761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 1.22 3.35 -12.15 3 4 0 68 241.294 3
Lo Low (pH 4.5-6) 1.22 3.73 -41.37 4 4 1 69 242.302 3

Activity (Go SEA)

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