UCSF

ZINC20765308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 31 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) 1.84 6.04 -23.66 2 8 0 109 441.509 8
Mid Mid (pH 6-8) 3.14 5.88 -58.18 1 8 -1 112 440.501 8

Activity (Go SEA)

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