UCSF

ZINC34526960

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 3.94 6.2 -11.23 2 6 0 80 373.409 6
Hi High (pH 8-9.5) 3.94 6.16 -42.02 1 6 -1 82 372.401 6

Activity (Go SEA)

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