UCSF

ZINC37812675

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 1.13 6.68 -96.2 3 4 2 41 253.39 3
Hi High (pH 8-9.5) 1.13 3.43 -6.74 1 4 0 36 251.374 3
Mid Mid (pH 6-8) 1.13 4.56 -40.07 2 4 1 40 252.382 3

Activity (Go SEA)

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