UCSF

ZINC13548588

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 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) 3.38 4.48 -13.6 2 4 0 62 313.176 2
Hi High (pH 8-9.5) 2.90 4.57 -111.7 0 4 -2 71 311.16 2
Mid Mid (pH 6-8) 3.38 5.5 -45.42 1 4 -1 65 312.168 2

Activity (Go SEA)

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