UCSF

ZINC32779207

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 15 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) 1.27 3.04 -6.68 2 5 0 64 228.683 1
Lo Low (pH 4.5-6) 1.27 3.5 -30.93 3 5 1 66 229.691 1
Lo Low (pH 4.5-6) 1.27 3.36 -33.26 3 5 1 66 229.691 1

Activity (Go SEA)

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