UCSF

ZINC34526720

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 1.95 4.47 -16.49 4 9 0 133 428.47 9
Hi High (pH 8-9.5) 1.95 4.42 -47.66 3 9 -1 135 427.462 9
Lo Low (pH 4.5-6) 1.95 4.88 -57.48 5 9 1 134 429.478 9

Activity (Go SEA)

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