UCSF

ZINC19831770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 Yes

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) 3.51 9.32 -37.42 1 4 1 20 380.556 6
Mid Mid (pH 6-8) 3.51 9.28 -39.21 1 4 1 20 380.556 6
Mid Mid (pH 6-8) 3.51 11.55 -109.58 2 4 2 21 381.564 6

Activity (Go SEA)

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