UCSF

ZINC40913515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 28 No

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) 2.98 6.28 -18.67 2 7 0 96 422.528 5
Hi High (pH 8-9.5) 2.98 7.47 -58.22 1 7 -1 99 421.52 5
Hi High (pH 8-9.5) 3.16 5.89 -49.72 1 7 -1 102 421.52 5

Activity (Go SEA)

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