UCSF

ZINC52296970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 2.02 5.35 -51.13 2 5 -1 81 241.311 8
Lo Low (pH 4.5-6) 2.02 3.38 -13.42 3 5 0 78 242.319 8

Activity (Go SEA)

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