UCSF

ZINC43981679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 32 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) 1.97 12.06 -193.08 0 8 -3 155 447.504 8
Mid Mid (pH 6-8) 1.97 10.2 -112.3 1 8 -2 152 448.512 8

Activity (Go SEA)

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