UCSF

ZINC36323334

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 16 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) 0.70 1.17 -46.16 3 4 1 53 225.312 4
Lo Low (pH 4.5-6) 0.70 3.25 -115 4 4 2 54 226.32 4

Activity (Go SEA)

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