UCSF

ZINC35133472

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 12 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) 0.34 2.82 -39.46 2 4 1 52 176.236 7
Hi High (pH 8-9.5) 0.34 1.4 -5.93 1 4 0 48 175.228 7

Activity (Go SEA)

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