UCSF

ZINC53129904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 2.12 3.89 -51.72 3 5 1 79 281.339 4
Mid Mid (pH 6-8) 2.12 3.64 -9.01 2 5 0 78 280.331 4
Lo Low (pH 4.5-6) 2.12 4.35 -94.95 4 5 2 81 282.347 4

Activity (Go SEA)

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