UCSF

ZINC09111406

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 20 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) 2.56 8.88 -39.05 4 5 1 67 264.312 1
Ref Reference (pH 7) 2.43 8.92 -37.13 4 5 1 70 264.312 1
Mid Mid (pH 6-8) 2.43 8.43 -17.75 3 5 0 68 263.304 1

Activity (Go SEA)

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