UCSF

ZINC37094664

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) 1.62 5.03 -126.54 4 5 2 60 298.427 9
Mid Mid (pH 6-8) 1.62 2.6 -46.01 3 5 1 59 297.419 9
Mid Mid (pH 6-8) 1.62 4.62 -30.05 3 5 1 58 297.419 9

Activity (Go SEA)

Rings

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