UCSF

ZINC37046904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.41 5.52 -80.49 4 5 0 97 304.733 4
Mid Mid (pH 6-8) 0.41 5.19 -60.34 3 5 -1 95 303.725 4

Activity (Go SEA)

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