UCSF

ZINC06468033

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 21 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) 1.03 7.73 -32.69 1 5 0 63 293.363 5
Hi High (pH 8-9.5) 1.03 5.58 -53.21 0 5 -1 62 292.355 5

Activity (Go SEA)

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