UCSF

ZINC37806188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.31 1.54 -46.18 3 6 1 69 269.369 6
Hi High (pH 8-9.5) -0.31 0.26 -14.49 2 6 0 65 268.361 6
Mid Mid (pH 6-8) -0.31 3.68 -102.57 4 6 2 70 270.377 6

Activity (Go SEA)

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