UCSF

ZINC36128009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 2.50 2.68 -46.4 3 3 1 40 255.426 3
Mid Mid (pH 6-8) 2.50 4.63 -108.36 4 3 2 41 256.434 3

Activity (Go SEA)

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