UCSF

ZINC40080018

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 24 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) 1.14 1.66 -18.68 3 7 0 104 359.423 9
Mid Mid (pH 6-8) 1.14 1.85 -58.9 2 7 -1 106 358.415 9

Activity (Go SEA)

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