UCSF

ZINC52503727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 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) 2.09 4.63 -37.71 2 3 1 33 242.412 8
Hi High (pH 8-9.5) 2.09 3.29 -3 1 3 0 28 241.404 8
Lo Low (pH 4.5-6) 2.09 7.03 -108.43 3 3 2 34 243.42 8

Activity (Go SEA)

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