UCSF

ZINC37098087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.04 6.79 -121.02 4 2 2 32 240.416 6
Mid Mid (pH 6-8) 2.04 4.53 -47.97 3 2 1 31 239.408 6
Mid Mid (pH 6-8) 2.04 7.08 -31.94 3 2 1 30 239.408 6

Activity (Go SEA)

Rings

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