UCSF

ZINC14982572

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 1.21 3.85 -11.06 4 6 0 104 238.254 1
Mid Mid (pH 6-8) 1.21 0.1 -31.8 5 6 1 105 239.262 1

Activity (Go SEA)

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