UCSF

ZINC32070644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 29 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) 1.84 3.26 -48.17 1 8 -1 111 433.466 4
Lo Low (pH 4.5-6) 1.84 3.39 -17.53 2 8 0 108 434.474 4

Activity (Go SEA)

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