UCSF

ZINC44242703

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 1.66 1.13 -40.54 2 5 -1 87 327.183 3
Mid Mid (pH 6-8) 1.66 1.1 -8.21 3 5 0 85 328.191 3

Activity (Go SEA)

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