UCSF

ZINC19637237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 22 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) 2.94 7.84 -32.66 1 3 1 11 304.502 8
Hi High (pH 8-9.5) 2.94 7.81 -36.34 1 3 1 11 304.502 8
Lo Low (pH 4.5-6) 2.94 12.56 -193.61 3 3 3 13 306.518 8
Lo Low (pH 4.5-6) 2.94 10.3 -107.24 2 3 2 12 305.51 8

Activity (Go SEA)

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