UCSF

ZINC06420299

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 28 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) 1.79 4 -67.19 1 7 -1 99 382.392 7
Mid Mid (pH 6-8) 2.23 -2.83 -30.54 2 7 0 96 383.4 6
Mid Mid (pH 6-8) 1.20 -1.17 -13.72 1 7 0 93 383.4 7

Activity (Go SEA)

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