UCSF

ZINC32955224

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 34 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) 3.80 9.11 -123.3 5 6 2 83 459.59 5
Hi High (pH 8-9.5) 3.80 9.86 -97.77 4 6 1 86 458.582 5
Hi High (pH 8-9.5) 3.80 7.97 -45.56 4 6 1 79 458.582 5
Hi High (pH 8-9.5) 3.80 9.91 -97.95 4 6 1 86 458.582 5

Activity (Go SEA)

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