UCSF

ZINC33983695

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 26 No

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) -4.57 10.35 -210.46 1 10 -3 168 369.35 10
Mid Mid (pH 6-8) -4.57 10.58 -95.17 2 10 0 169 370.358 10

Activity (Go SEA)

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