UCSF

ZINC19919375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 2.20 4.14 -37.02 3 4 1 49 267.393 9
Hi High (pH 8-9.5) 2.20 4.93 -34.41 2 4 0 52 266.385 9
Mid Mid (pH 6-8) 2.20 4.91 -34.17 3 4 1 46 267.393 9

Activity (Go SEA)

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