UCSF

ZINC34957151

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 2.97 5.4 -51.97 3 3 1 46 256.753 4
Hi High (pH 8-9.5) 2.97 5 -5.04 2 3 0 44 255.745 4

Activity (Go SEA)

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