UCSF

ZINC75345999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2012 25 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) 2.06 3.78 -12.68 3 7 0 104 359.407 5
Mid Mid (pH 6-8) 2.52 1.84 -44.22 2 7 -1 107 358.399 5
Mid Mid (pH 6-8) 2.06 3.24 -19.41 3 7 0 104 359.407 5

Activity (Go SEA)

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