UCSF

ZINC44243595

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 2.44 2.02 -8.05 2 5 0 71 342.218 4
Mid Mid (pH 6-8) 2.44 2.05 -40.76 1 5 -1 73 341.21 4

Activity (Go SEA)

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