UCSF

ZINC36615029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 29 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) 2.57 4.83 -12.97 0 6 0 58 438.422 6
Mid Mid (pH 6-8) 2.57 7.04 -56.75 1 6 1 60 439.43 6

Activity (Go SEA)

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