UCSF

ZINC17138180

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 26 No

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) 2.76 9.21 -51.42 1 5 0 65 370.474 6
Hi High (pH 8-9.5) 2.76 6.69 -40.68 0 5 -1 64 369.466 6
Mid Mid (pH 6-8) 3.20 8.24 -57.3 2 5 1 62 371.482 5
Mid Mid (pH 6-8) 2.17 9.07 -44.37 1 5 1 59 371.482 6

Activity (Go SEA)

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