UCSF

ZINC37806187

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) 0.00 1.35 -46.01 3 6 1 69 271.385 6
Hi High (pH 8-9.5) 0.00 0.14 -14.18 2 6 0 65 270.377 6
Mid Mid (pH 6-8) 0.00 3.49 -102.43 4 6 2 70 272.393 6

Activity (Go SEA)

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