UCSF

ZINC13497418

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 No

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) 3.36 7.42 -12.21 2 4 0 37 335.517 10
Mid Mid (pH 6-8) 4.04 9.57 -47.7 3 4 1 40 336.525 9
Mid Mid (pH 6-8) 4.04 9.72 -52.53 3 4 1 40 336.525 9

Activity (Go SEA)

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