UCSF

ZINC22935947

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) 3.10 8.53 -119.63 3 2 2 21 299.256 5
Mid Mid (pH 6-8) 3.10 7.22 -34.04 2 2 1 16 298.248 5

Activity (Go SEA)

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