UCSF

ZINC61823894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) -0.13 3.52 -55.23 2 5 1 57 254.354 1
Mid Mid (pH 6-8) -0.13 2.22 -9.73 1 5 0 53 253.346 1

Activity (Go SEA)

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