UCSF

ZINC02792692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 29 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) 4.94 11.73 -46.63 0 6 -1 62 437.879 7
Lo Low (pH 4.5-6) 4.22 11.88 -15.89 1 6 0 64 438.887 7

Activity (Go SEA)

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