UCSF

ZINC08868926

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 30 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) 3.70 0.16 -16.26 1 9 0 119 431.385 9
Mid Mid (pH 6-8) 1.88 5.26 -15.05 1 6 0 84 388.47 4

Activity (Go SEA)

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