UCSF

ZINC19789288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 18 No

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) 1.69 2.45 -7.29 3 5 0 90 324.159 0
Hi High (pH 8-9.5) 2.60 -1.32 -96.06 1 5 -2 96 322.143 0
Mid Mid (pH 6-8) 2.19 1.45 -38.29 2 5 -1 86 323.151 0
Mid Mid (pH 6-8) 2.14 0.47 -37.74 2 5 -1 93 323.151 0

Activity (Go SEA)

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