UCSF

ZINC70305378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 20 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) 4.41 10.17 -33.89 2 2 1 20 279.492 4
Mid Mid (pH 6-8) 4.41 10.39 -21.36 3 2 0 21 280.5 4

Activity (Go SEA)

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