UCSF

ZINC34873263

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 31 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) 3.12 7.18 -15.31 2 7 0 101 413.433 6
Hi High (pH 8-9.5) 3.12 7.96 -58.54 1 7 -1 104 412.425 6

Activity (Go SEA)

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