UCSF

ZINC25148319

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 22 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) 4.49 7.16 -9.93 1 5 0 60 385.283 5
Hi High (pH 8-9.5) 4.01 6.24 -42.55 0 5 -1 67 384.275 5

Activity (Go SEA)

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