UCSF

ZINC04314456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 25 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) 1.47 12.06 -17.79 0 9 0 93 347.375 4
Mid Mid (pH 6-8) 1.47 12.53 -36.67 1 9 1 94 348.383 4

Activity (Go SEA)

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