UCSF

ZINC13604292

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) -0.20 0.51 -90.28 6 4 2 57 242.411 6
Mid Mid (pH 6-8) -0.20 1.93 -164.42 7 4 3 62 243.419 6
Mid Mid (pH 6-8) -0.20 0.64 -85.15 6 4 2 57 242.411 6
Mid Mid (pH 6-8) -0.20 3.13 -278.42 8 4 4 66 244.427 6

Activity (Go SEA)

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