UCSF

ZINC12032553

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 26 No

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) 4.41 5.13 -10.46 2 6 0 84 370.43 5
Mid Mid (pH 6-8) 3.92 4.97 -42.59 1 6 -1 83 369.422 6

Activity (Go SEA)

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