UCSF

ZINC36778728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.36 5.88 -7.23 2 3 0 41 289.35 7
Mid Mid (pH 6-8) 3.36 7.26 -49.59 3 3 1 46 290.358 7

Activity (Go SEA)

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