UCSF

ZINC03060050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 23 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) 3.19 4.12 -10.3 3 6 0 91 331.759 4
Hi High (pH 8-9.5) 3.19 4.9 -50.6 2 6 -1 94 330.751 4
Lo Low (pH 4.5-6) 3.19 4.48 -37.28 4 6 1 92 332.767 4

Activity (Go SEA)

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