UCSF

ZINC34037724

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 35 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) 4.18 14.17 -16.01 2 5 0 66 478.983 4
Mid Mid (pH 6-8) 4.18 14.63 -50.2 3 5 1 67 479.991 4
Lo Low (pH 4.5-6) 4.18 14.85 -136.39 4 5 2 69 480.999 4

Activity (Go SEA)

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