UCSF

ZINC08739493

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 31 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) 5.28 12.15 -64.54 0 5 -1 73 431.537 5
Mid Mid (pH 6-8) 5.73 12.43 -16.08 1 5 0 71 432.545 4

Activity (Go SEA)

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