UCSF

ZINC37038749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.18 8.02 -119.57 4 4 2 52 291.439 5
Hi High (pH 8-9.5) 1.18 7.64 -41.77 3 4 1 51 290.431 5
Mid Mid (pH 6-8) 1.18 6.55 -49.99 3 4 1 51 290.431 5

Activity (Go SEA)

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