UCSF

ZINC22920947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 36 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) 4.55 14.16 -64.21 2 7 1 80 503.648 8
Hi High (pH 8-9.5) 5.00 13.13 -43.1 1 7 0 83 502.64 8
Mid Mid (pH 6-8) 4.55 11.44 -18.94 1 7 0 79 502.64 8

Activity (Go SEA)

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