UCSF

ZINC09562888

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 32 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) 3.84 9.94 -21.61 1 7 0 93 458.58 7
Hi High (pH 8-9.5) 3.84 10.03 -63.64 0 7 -1 95 457.572 7

Activity (Go SEA)

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