UCSF

ZINC37078273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.72 2.86 -88.56 5 3 2 52 210.321 5
Hi High (pH 8-9.5) 0.72 0.56 -46.51 4 3 1 51 209.313 5

Activity (Go SEA)

Rings

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