UCSF

ZINC27986137

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 27 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) 3.75 6.69 -46.7 3 5 1 74 370.469 10
Mid Mid (pH 6-8) 3.75 4.21 -14.99 2 5 0 70 369.461 10

Activity (Go SEA)

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