UCSF

ZINC19919257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.73 6.75 -40.15 2 3 1 33 251.394 8
Hi High (pH 8-9.5) 2.73 5.62 -2.88 1 3 0 28 250.386 8
Mid Mid (pH 6-8) 2.73 9.06 -114.87 3 3 2 34 252.402 8
Mid Mid (pH 6-8) 2.73 7.64 -34.99 2 3 1 30 251.394 8

Activity (Go SEA)

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