UCSF

ZINC20755242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 31 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) 7.16 15.6 -32.55 1 4 1 41 503.754 4
Mid Mid (pH 6-8) 7.16 15.12 -16.69 0 4 0 39 502.746 4
Mid Mid (pH 6-8) 7.16 14.99 -37.89 1 4 1 41 503.754 4

Activity (Go SEA)

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