UCSF

ZINC19801722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 16 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) -1.76 -3.11 -51.18 5 6 1 94 229.304 6
Mid Mid (pH 6-8) -1.76 -5.48 -18.28 4 6 0 93 228.296 6

Activity (Go SEA)

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