UCSF

ZINC37401701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.21 4.02 -8.83 3 4 0 72 247.323 2
Hi High (pH 8-9.5) 2.67 2.05 -48.04 2 4 -1 75 246.315 2
Mid Mid (pH 6-8) 2.21 3.42 -19.81 3 4 0 72 247.323 2

Activity (Go SEA)

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