UCSF

ZINC28012779

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 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) 2.46 1.23 -12.99 3 4 0 65 268.316 2
Mid Mid (pH 6-8) 2.46 2.16 -42.1 4 4 1 66 269.324 2

Activity (Go SEA)

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