UCSF

ZINC36053294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2009 31 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) 4.64 5.76 -41.59 1 6 -1 94 469.486 6
Hi High (pH 8-9.5) 4.64 5.89 -94.15 0 6 -2 96 468.478 6
Mid Mid (pH 6-8) 4.64 5.81 -41.64 1 6 -1 94 469.486 6
Lo Low (pH 4.5-6) 4.64 5.7 -12.88 2 6 0 92 470.494 6

Activity (Go SEA)

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