UCSF

ZINC22145799

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 0.93 1.1 -49.81 1 6 -1 96 292.358 7
Hi High (pH 8-9.5) 0.93 0.7 -96.6 0 6 -2 98 291.35 7

Activity (Go SEA)

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