UCSF

ZINC04107457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 21 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) 2.17 2.38 -14.97 1 6 0 81 280.287 3
Hi High (pH 8-9.5) 2.24 0.27 -53.51 0 6 -1 87 279.279 3

Activity (Go SEA)

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