UCSF

ZINC04624633

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 19 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) 2.79 2.18 -52.25 0 4 -1 76 275.353 3
Lo Low (pH 4.5-6) 2.79 2.15 -49.07 1 4 0 78 276.361 3

Activity (Go SEA)

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