UCSF

ZINC36987013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 2.19 4.65 -100.89 5 3 2 56 213.369 4
Mid Mid (pH 6-8) -0.72 5.63 -24.88 5 3 1 56 212.361 4

Activity (Go SEA)

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