UCSF

ZINC33397595

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 2.49 7.08 -40.97 1 9 -1 129 491.501 5
Lo Low (pH 4.5-6) 2.49 5.95 -26.61 2 9 0 126 492.509 5

Activity (Go SEA)

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