UCSF

ZINC06830205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 25 No

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) 3.93 10.99 -7.38 1 6 0 68 333.395 4
Ref Reference (pH 7) 3.93 10.22 -15.27 0 6 0 65 333.395 4
Mid Mid (pH 6-8) 3.93 11.2 -30.79 2 6 1 70 334.403 4
Mid Mid (pH 6-8) 3.93 10.54 -39.48 1 6 1 67 334.403 4

Activity (Go SEA)

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