UCSF

ZINC37095761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.25 5.89 -130.79 4 3 2 41 306.372 8
Mid Mid (pH 6-8) 3.25 4.74 -46.48 3 3 1 40 305.364 8
Mid Mid (pH 6-8) 3.25 6.75 -31.86 3 3 1 40 305.364 8

Activity (Go SEA)

Rings

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