UCSF

ZINC44177794

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) 1.21 3.52 -34.12 2 3 1 34 214.329 3
Mid Mid (pH 6-8) 1.21 1.31 -4.08 1 3 0 33 213.321 3

Activity (Go SEA)

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