UCSF

ZINC54965255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 Yes

Other Names:

MFCD08704545

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) -1.93 3.55 -79.05 3 6 0 97 244.291 3
Hi High (pH 8-9.5) -1.93 3.26 -55.15 2 6 -1 96 243.283 3

Activity (Go SEA)

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