UCSF

ZINC20122093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.39 3.14 -37.65 2 4 1 36 252.382 5
Hi High (pH 8-9.5) 1.39 4.05 -36 2 4 1 33 252.382 5
Mid Mid (pH 6-8) 1.39 5.06 -111.91 3 4 2 37 253.39 5
Mid Mid (pH 6-8) 1.39 5.52 -103.11 3 4 2 37 253.39 5
Lo Low (pH 4.5-6) 1.39 7.44 -191.05 4 4 3 39 254.398 5

Activity (Go SEA)

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