UCSF

ZINC38002674

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.92 4.06 -43.58 3 4 1 49 361.329 5
Hi High (pH 8-9.5) 2.92 3.02 -9.57 2 4 0 44 360.321 5
Mid Mid (pH 6-8) 2.92 5.2 -42.27 3 4 1 46 361.329 5

Activity (Go SEA)

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