UCSF

ZINC20215035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -0.80 1.35 -59.08 2 6 -1 96 292.098 2
Hi High (pH 8-9.5) -0.80 1.12 -108.76 1 6 -2 95 291.09 2

Activity (Go SEA)

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