UCSF

ZINC36352850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.29 8.59 -12.58 1 5 0 74 348.793 2
Ref Reference (pH 7) 3.10 11.24 -13.13 1 5 0 71 348.793 2
Mid Mid (pH 6-8) 3.10 11.7 -49.99 2 5 1 72 349.801 2

Activity (Go SEA)

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