UCSF

ZINC36827077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) 1.98 5.97 -40.14 2 3 1 37 255.407 1
Mid Mid (pH 6-8) 1.98 4.87 -7.07 1 3 0 32 254.399 1

Activity (Go SEA)

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