UCSF

ZINC06407210

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 35 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) 4.30 11.79 -58.68 0 8 -1 109 491.545 7
Mid Mid (pH 6-8) 4.30 11.03 -13.45 1 8 0 106 492.553 7
Mid Mid (pH 6-8) 3.72 11.46 -14.1 0 8 0 103 492.553 7

Activity (Go SEA)

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