UCSF

ZINC32735830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 35 No

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) 1.91 7.1 -27.87 2 9 0 109 496.589 10
Lo Low (pH 4.5-6) 1.91 8.18 -46.77 3 9 1 111 497.597 10

Activity (Go SEA)

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