UCSF

ZINC31543767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 30 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) -1.79 1.42 -251.01 4 16 -3 250 504.227 8
Mid Mid (pH 6-8) -1.79 0.14 -132.05 5 16 -2 248 505.235 8

Activity (Go SEA)

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