UCSF

ZINC42689419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 15 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) 1.27 2.78 -33.81 3 3 1 40 215.361 8
Mid Mid (pH 6-8) 1.27 4.61 -106.13 4 3 2 41 216.369 8

Activity (Go SEA)

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