UCSF

ZINC19681055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 21 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) 1.43 2.08 -49.18 3 5 1 66 312.459 6
Lo Low (pH 4.5-6) 1.43 4.46 -126.4 4 5 2 67 313.467 6

Activity (Go SEA)

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