UCSF

ZINC20393236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 20 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) 1.92 5.63 -15.8 2 5 0 62 267.288 1
Mid Mid (pH 6-8) 1.92 6.03 -30.59 3 5 1 63 268.296 1

Activity (Go SEA)

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