UCSF

ZINC39376900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 14 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) -0.85 -2.24 -57.26 5 5 1 94 195.198 2
Hi High (pH 8-9.5) -0.40 -5.34 -47.73 3 5 -1 95 193.182 2
Mid Mid (pH 6-8) -0.40 -4.86 -83.68 4 5 0 97 194.19 2

Activity (Go SEA)

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