UCSF

ZINC00270752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 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) 1.37 2.79 -7.68 1 3 0 38 160.176 1
Mid Mid (pH 6-8) 1.37 3.53 -47.55 0 3 -1 41 159.168 1

Activity (Go SEA)

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