UCSF

ZINC02818225

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 26 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) 5.99 12.98 -8.02 1 2 0 29 360.457 4
Lo Low (pH 4.5-6) 5.99 13.44 -31.43 2 2 1 30 361.465 4

Activity (Go SEA)

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