UCSF

ZINC45658816

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 0.41 3.15 -31.14 3 4 1 43 256.414 5
Hi High (pH 8-9.5) 0.41 0.78 -43.88 3 4 1 43 256.414 5
Hi High (pH 8-9.5) 0.41 2.26 -26.67 3 4 1 43 256.414 5
Mid Mid (pH 6-8) 0.41 3.2 -103.29 4 4 2 45 257.422 5

Activity (Go SEA)

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