UCSF

ZINC32547820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 19 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) 3.67 9.58 -34.71 1 2 1 8 261.433 5
Hi High (pH 8-9.5) 3.67 7.12 -2.3 0 2 0 6 260.425 5
Lo Low (pH 4.5-6) 3.67 9.02 -33.39 1 2 1 8 261.433 5

Activity (Go SEA)

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