UCSF

ZINC36732302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 No

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) -0.02 4.56 -75.82 3 7 1 103 254.266 5
Hi High (pH 8-9.5) -0.02 4.16 -21.86 2 7 0 101 253.258 5

Activity (Go SEA)

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