UCSF

ZINC50635425

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 21 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) 2.25 3.15 -8.47 1 5 0 53 311.451 6
Mid Mid (pH 6-8) 2.25 5.36 -42.67 2 5 1 54 312.459 6

Activity (Go SEA)

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