UCSF

ZINC21803094

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 2.97 4.19 -11.78 3 4 0 72 308.428 4
Hi High (pH 8-9.5) 2.97 4.26 -47.68 2 4 -1 74 307.42 4

Activity (Go SEA)

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