UCSF

ZINC22074930

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 3.43 5.95 -42 2 3 1 29 381.132 7
Hi High (pH 8-9.5) 3.43 4.35 -2.2 1 3 0 24 380.124 7
Mid Mid (pH 6-8) 3.43 7.06 -38.42 2 3 1 26 381.132 7
Mid Mid (pH 6-8) 3.43 8.19 -117.16 3 3 2 30 382.14 7

Activity (Go SEA)

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