UCSF

ZINC37435219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 21 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) -2.60 3.56 -72.95 1 8 -1 119 290.255 2
Mid Mid (pH 6-8) -2.14 1.42 -118.04 0 8 -2 122 289.247 2

Activity (Go SEA)

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