UCSF

ZINC40062509

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 24 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) 2.81 9.52 -57.15 1 6 -1 96 332.376 6
Lo Low (pH 4.5-6) 2.81 7.43 -14.1 2 6 0 93 333.384 6

Activity (Go SEA)

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