UCSF

ZINC26577129

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 19 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) 2.33 6.29 -90.26 5 3 2 45 271.493 11
Mid Mid (pH 6-8) 2.33 7.7 -193.55 6 3 3 50 272.501 11

Activity (Go SEA)

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