UCSF

ZINC25007487

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 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) 2.61 4.3 -34.05 1 4 -1 65 301.288 3
Lo Low (pH 4.5-6) 2.15 5.36 -9.04 2 4 0 62 302.296 3

Activity (Go SEA)

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