UCSF

ZINC37165267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 3.11 8.33 -123.79 4 2 2 32 268.47 8
Hi High (pH 8-9.5) 3.11 7.95 -37.06 3 2 1 30 267.462 8
Mid Mid (pH 6-8) 3.11 6.37 -45.72 3 2 1 31 267.462 8

Activity (Go SEA)

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