UCSF

ZINC53344220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.85 6 -85.76 3 3 2 24 243.439 7
Hi High (pH 8-9.5) 1.85 4.64 -33.4 2 3 1 20 242.431 7
Lo Low (pH 4.5-6) 1.85 8.46 -194.15 4 3 3 25 244.447 7

Activity (Go SEA)

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