UCSF

ZINC36929423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 2.03 0.76 -55.9 4 4 1 74 263.408 6
Hi High (pH 8-9.5) 2.03 0.37 -8.68 3 4 0 72 262.4 6

Activity (Go SEA)

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