UCSF

ZINC22935906

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 17 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) 2.95 9.1 -118.54 3 2 2 21 254.805 5
Mid Mid (pH 6-8) 2.95 7.74 -31.95 2 2 1 16 253.797 5

Activity (Go SEA)

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