UCSF

ZINC54127594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 15 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) -0.58 1.62 -69.67 2 6 0 91 238.309 7
Hi High (pH 8-9.5) -0.58 -0.65 -49.17 1 6 -1 90 237.301 7

Activity (Go SEA)

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