UCSF

ZINC21817091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.44 6.05 -53.35 2 5 -1 89 304.709 3
Mid Mid (pH 6-8) 4.44 7.08 -107.18 1 5 -2 92 303.701 3

Activity (Go SEA)

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