UCSF

ZINC37082137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.15 5.62 -36.8 3 4 1 49 267.393 7
Mid Mid (pH 6-8) 0.15 5.65 -130.85 4 4 2 51 268.401 7
Mid Mid (pH 6-8) 0.15 4.07 -46.33 3 4 1 49 267.393 7

Activity (Go SEA)

Rings

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