UCSF

ZINC37088631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.85 5.93 -56.18 2 4 -1 72 329.134 4
Mid Mid (pH 6-8) 3.85 6.68 -95.3 1 4 -2 75 328.126 4

Activity (Go SEA)

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