UCSF

ZINC41678314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 2.66 6.44 -8.93 2 4 0 53 253.733 4
Mid Mid (pH 6-8) 2.66 6.91 -30.62 3 4 1 54 254.741 4

Activity (Go SEA)

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