UCSF

ZINC52304078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 0.32 4.57 -59.48 3 5 1 64 262.333 6
Hi High (pH 8-9.5) 0.32 4.18 -11.25 2 5 0 62 261.325 6
Lo Low (pH 4.5-6) 0.32 4.9 -113.48 4 5 2 65 263.341 6

Activity (Go SEA)

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