UCSF

ZINC22975047

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 3.28 7.26 -24.88 3 7 0 96 389.525 9
Hi High (pH 8-9.5) 3.35 6.37 -51.38 2 7 -1 102 388.517 9

Activity (Go SEA)

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