UCSF

ZINC34552451

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.88 9.23 -46.64 0 2 -1 40 219.304 4
Lo Low (pH 4.5-6) 3.88 7.3 -5.08 1 2 0 37 220.312 4

Activity (Go SEA)

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