UCSF

ZINC00203002

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.02 7.9 -11.89 0 5 0 57 279.299 4
Lo Low (pH 4.5-6) 2.02 8.43 -33.95 1 5 1 58 280.307 4

Activity (Go SEA)

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