UCSF

ZINC37095779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.99 8.04 -124.17 4 2 2 32 278.484 7
Hi High (pH 8-9.5) 3.99 6.26 -43.23 3 2 1 31 277.476 7
Mid Mid (pH 6-8) 3.99 7.68 -28.33 3 2 1 30 277.476 7

Activity (Go SEA)

Rings

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