UCSF

ZINC12921060

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 30 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) 3.96 8.22 -48.39 1 7 -1 96 416.486 5
Mid Mid (pH 6-8) 3.50 9.64 -17.48 2 7 0 93 417.494 5
Mid Mid (pH 6-8) 3.50 10.18 -16.58 2 7 0 93 417.494 5

Activity (Go SEA)

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