UCSF

ZINC37760344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 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) 0.19 4.51 -56.78 0 6 -1 83 223.208 4
Mid Mid (pH 6-8) 0.19 2.42 -29.44 1 6 0 84 224.216 4
Mid Mid (pH 6-8) 0.19 3.52 -14.21 1 6 0 80 224.216 4

Activity (Go SEA)

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