UCSF

ZINC23077690

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 19 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) 4.65 6.51 -39.4 0 3 -1 48 404.103 3
Mid Mid (pH 6-8) 4.65 6.45 -8.57 1 3 0 46 405.111 3

Activity (Go SEA)

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