UCSF

ZINC37174581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 No

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) 0.51 2.96 -52.96 3 2 1 31 233.426 3
Lo Low (pH 4.5-6) 0.51 4.7 -127.24 4 2 2 32 234.434 3

Activity (Go SEA)

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