UCSF

ZINC35048090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.44 5.48 -48.49 2 2 1 20 255.382 4
Hi High (pH 8-9.5) 1.44 4.66 -4.68 1 2 0 15 254.374 4
Mid Mid (pH 6-8) 1.44 7.96 -131.06 3 2 2 21 256.39 4
Mid Mid (pH 6-8) 1.44 7.13 -43.46 2 2 1 16 255.382 4

Activity (Go SEA)

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