UCSF

ZINC04135203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 19 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 3.1 -10.52 1 5 0 68 298.751 4
Hi High (pH 8-9.5) 2.30 3.2 -42.48 0 5 -1 70 297.743 4
Lo Low (pH 4.5-6) 2.30 3.4 -43.19 2 5 1 70 299.759 4

Activity (Go SEA)

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