UCSF

ZINC32248667

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 26 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) 3.19 5.42 -10.4 1 5 0 51 419.319 6
Lo Low (pH 4.5-6) 3.19 7.81 -51.94 2 5 1 52 420.327 6

Activity (Go SEA)

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