UCSF

ZINC36382357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 33 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) 7.10 14.88 -28.95 2 5 1 49 442.583 6
Mid Mid (pH 6-8) 7.10 14.46 -11.91 1 5 0 48 441.575 6

Activity (Go SEA)

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