UCSF

ZINC32901263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 20 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) 1.80 4.74 -16.09 1 5 0 72 303.355 8
Hi High (pH 8-9.5) 1.80 4.34 -39.03 0 5 -1 75 302.347 8

Activity (Go SEA)

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