UCSF

ZINC36780913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 1.98 -0.4 -44.81 5 5 1 86 253.322 6
Hi High (pH 8-9.5) 1.98 -1.5 -11.09 4 5 0 82 252.314 6

Activity (Go SEA)

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