UCSF

ZINC35016847

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.40 7.38 -39.44 2 6 -1 85 347.445 5
Mid Mid (pH 6-8) 2.16 8.48 -15.21 3 6 0 79 348.453 6
Lo Low (pH 4.5-6) 2.16 8.57 -49.76 4 6 1 80 349.461 6

Activity (Go SEA)

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