UCSF

ZINC39309112

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 4.52 15.65 -89.03 2 7 2 66 501.414 8
Hi High (pH 8-9.5) 4.52 14.68 -15.45 0 7 0 63 499.398 8
Mid Mid (pH 6-8) 4.52 15.14 -39.06 1 7 1 65 500.406 8
Mid Mid (pH 6-8) 4.52 15.19 -45.3 1 7 1 65 500.406 8

Activity (Go SEA)

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