UCSF

ZINC31993651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 0.99 0.4 -43.48 1 7 -1 96 302.31 6
Lo Low (pH 4.5-6) 0.54 2.25 -11.79 2 7 0 93 303.318 6

Activity (Go SEA)

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