UCSF

ZINC31979551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 1.70 3.93 -49.29 1 5 -1 78 301.116 5
Lo Low (pH 4.5-6) 1.70 2.81 -13.83 2 5 0 76 302.124 5

Activity (Go SEA)

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