UCSF

ZINC20559624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 20 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) 4.71 10.12 -123.48 3 2 2 21 319.32 7
Hi High (pH 8-9.5) 4.71 7.11 -2.57 1 2 0 15 317.304 7
Mid Mid (pH 6-8) 4.72 9.03 -34.62 2 2 1 16 318.312 7

Activity (Go SEA)

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