UCSF

ZINC35633611

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 3.38 5.1 -51.48 3 5 1 79 326.467 5
Mid Mid (pH 6-8) 2.45 4.57 -69.41 2 5 0 78 325.459 6

Activity (Go SEA)

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