UCSF

ZINC08718934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 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) 4.13 0.9 -13.56 0 7 0 71 430.508 6
Mid Mid (pH 6-8) 4.13 1.26 -53.36 1 7 1 72 431.516 6

Activity (Go SEA)

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