UCSF

ZINC36723368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 13 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) 0.39 6.09 -111 3 3 2 45 185.315 6
Mid Mid (pH 6-8) 0.39 4.99 -38.58 2 3 1 40 184.307 6

Activity (Go SEA)

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