UCSF

ZINC53131153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 2.30 6.14 -47.67 2 3 1 39 243.33 5
Hi High (pH 8-9.5) 2.30 5.12 -5.6 1 3 0 34 242.322 5
Lo Low (pH 4.5-6) 2.30 6.61 -102.61 3 3 2 40 244.338 5

Activity (Go SEA)

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