UCSF

ZINC34603701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) -0.06 5.62 -95.2 4 7 0 111 401.438 2
Mid Mid (pH 6-8) -2.50 3.79 -78.85 5 7 1 113 402.446 2
Mid Mid (pH 6-8) -0.06 3.61 -52.67 5 7 1 108 402.446 2

Activity (Go SEA)

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