UCSF

ZINC03918926

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 19 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) 0.48 5.75 -283 8 4 4 66 274.497 12
Hi High (pH 8-9.5) 0.48 3.04 -86.89 6 4 2 57 272.481 12
Mid Mid (pH 6-8) 0.48 4.4 -161.47 7 4 3 62 273.489 12
Mid Mid (pH 6-8) 0.48 4.4 -167.1 7 4 3 62 273.489 12

Activity (Go SEA)

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