UCSF

ZINC37082079

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) 0.84 5.78 -26.82 3 2 1 30 221.368 5
Mid Mid (pH 6-8) 0.84 6.05 -108.66 4 2 2 32 222.376 5
Mid Mid (pH 6-8) 0.84 4.23 -42.51 3 2 1 31 221.368 5

Activity (Go SEA)

Rings

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