UCSF

ZINC08594586

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 29 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 9.17 -15.51 0 7 0 75 432.571 3
Lo Low (pH 4.5-6) 2.82 9.57 -44.03 1 7 1 76 433.579 3

Activity (Go SEA)

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