UCSF

ZINC36672829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 2.82 5.65 -40.89 2 3 1 35 236.335 4
Hi High (pH 8-9.5) 2.82 4.49 -4.39 1 3 0 30 235.327 4

Activity (Go SEA)

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