UCSF

ZINC08821020

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 31 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) 8.25 14.45 -14.12 1 4 0 58 465.361 3
Mid Mid (pH 6-8) 7.79 14.34 -53.59 0 4 -1 57 464.353 4

Activity (Go SEA)

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