UCSF

ZINC19977820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 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) 0.07 4.11 -44.21 2 5 1 57 242.343 5
Mid Mid (pH 6-8) 0.07 2.72 -4.92 1 5 0 53 241.335 5

Activity (Go SEA)

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