UCSF

ZINC20938033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 3.28 8.8 -8.08 0 3 0 30 281.355 4
Mid Mid (pH 6-8) 3.28 11.14 -45.13 1 3 1 31 282.363 4

Activity (Go SEA)

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