UCSF

ZINC43520748

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 -34.64 1 3 1 21 286.852 4
Hi High (pH 8-9.5) 2.04 3.75 -4.93 0 3 0 19 285.844 4
Mid Mid (pH 6-8) 2.04 5.97 -34.51 1 3 1 21 286.852 4

Activity (Go SEA)

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