UCSF

ZINC13543041

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 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) 0.77 3.12 -6.22 4 5 0 81 193.254 1
Mid Mid (pH 6-8) 0.77 3.34 -25.56 5 5 1 82 194.262 1
Mid Mid (pH 6-8) 0.77 -1.89 -25.47 5 5 1 82 194.262 1

Activity (Go SEA)

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