UCSF

ZINC33808430

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 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) 2.70 9.58 -54.16 0 9 -1 104 522.622 13
Mid Mid (pH 6-8) 2.70 11.9 -74.91 1 9 0 105 523.63 13
Lo Low (pH 4.5-6) 2.70 10.61 -63.43 2 9 1 103 524.638 13

Activity (Go SEA)

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