UCSF

ZINC36137213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 2.95 10.85 -58.55 0 4 -1 60 310.801 6
Lo Low (pH 4.5-6) 2.95 8.38 -7.55 1 4 0 58 311.809 6

Activity (Go SEA)

Rings

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