UCSF

ZINC37052132

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) 0.88 6.3 -7.06 2 3 0 46 290.725 2
Mid Mid (pH 6-8) 0.88 6.6 -47.24 3 3 1 48 291.733 2
Lo Low (pH 4.5-6) 0.88 6.61 -48.81 3 3 1 48 291.733 2

Activity (Go SEA)

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