UCSF

ZINC32906498

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 23 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) 2.64 9.87 -16.67 0 4 0 42 306.365 5
Lo Low (pH 4.5-6) 2.64 10.3 -45.14 1 4 1 44 307.373 5

Activity (Go SEA)

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