UCSF

ZINC17744590

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 23 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) 3.35 9.16 -38.24 2 3 1 26 311.449 6
Lo Low (pH 4.5-6) 3.35 8.12 -41.86 2 3 1 29 311.449 6

Activity (Go SEA)

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