UCSF

ZINC32051742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 0.60 8.83 -99.98 2 7 0 95 360.389 5
Lo Low (pH 4.5-6) -2.99 7.88 -71.54 3 7 1 98 361.397 4

Activity (Go SEA)

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