UCSF

ZINC44725397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) 0.12 3.43 -83.76 4 3 2 35 211.353 2
Hi High (pH 8-9.5) 0.12 1.04 -42.38 3 3 1 34 210.345 2
Lo Low (pH 4.5-6) 0.12 5.59 -186.99 5 3 3 37 212.361 2

Activity (Go SEA)

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