UCSF

ZINC20269987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 2.06 3.51 -38.36 3 4 1 49 303.213 3
Mid Mid (pH 6-8) 2.06 4.4 -39.44 3 4 1 46 303.213 3
Lo Low (pH 4.5-6) 2.06 5.81 -114.88 4 4 2 50 304.221 3

Activity (Go SEA)

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