UCSF

ZINC24818333

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 28 No

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) 3.51 7.93 -11.02 0 5 0 42 384.451 6
Mid Mid (pH 6-8) 3.51 10.24 -46.34 1 5 1 43 385.459 6

Activity (Go SEA)

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