UCSF

ZINC37080762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.99 3.75 -132.86 4 4 2 51 236.315 4
Mid Mid (pH 6-8) 0.99 2.34 -48.31 3 4 1 49 235.307 4
Mid Mid (pH 6-8) 0.99 4.84 -34.53 3 4 1 49 235.307 4

Activity (Go SEA)

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