UCSF

ZINC01719074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 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) -1.58 1.43 -58.12 4 5 0 97 200.238 3
Mid Mid (pH 6-8) -1.58 1.21 -40.81 3 5 -1 95 199.23 3

Activity (Go SEA)

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