UCSF

ZINC43488605

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 2.08 3.68 -46.97 3 4 1 63 244.698 5
Hi High (pH 8-9.5) 2.08 3.27 -46.79 1 4 -1 61 242.682 5
Mid Mid (pH 6-8) 2.08 2.51 -9.29 2 4 0 59 243.69 5

Activity (Go SEA)

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