UCSF

ZINC43520746

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 18 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) 2.04 6.15 -35.64 1 3 1 21 286.852 4
Hi High (pH 8-9.5) 2.04 3.93 -4.83 0 3 0 19 285.844 4
Mid Mid (pH 6-8) 2.04 6.17 -34.74 1 3 1 21 286.852 4

Activity (Go SEA)

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