UCSF

ZINC21784631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 1.48 4.73 -21.6 4 9 0 136 430.486 9
Mid Mid (pH 6-8) 1.94 2.79 -51.48 3 9 -1 140 429.478 9
Mid Mid (pH 6-8) 1.48 4.19 -28.64 4 9 0 136 430.486 9

Activity (Go SEA)

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