UCSF

ZINC13131171

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 4.18 8.14 -10.84 1 6 0 80 368.443 3
Mid Mid (pH 6-8) 4.63 6.18 -49 0 6 -1 83 367.435 3
Mid Mid (pH 6-8) 4.63 5.21 -43.95 0 6 -1 83 367.435 3

Activity (Go SEA)

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