UCSF

ZINC44684519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 4.28 8.81 -37.81 2 2 1 20 287.471 5
Hi High (pH 8-9.5) 4.28 7.91 -1.28 1 2 0 15 286.463 5
Mid Mid (pH 6-8) 4.28 10.25 -30.79 2 2 1 16 287.471 5

Activity (Go SEA)

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