UCSF

ZINC21715220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 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) 3.37 11.12 -93.1 3 5 1 71 336.415 7
Hi High (pH 8-9.5) 3.37 8.34 -49.43 1 5 -1 68 334.399 7

Activity (Go SEA)

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