UCSF

ZINC22913557

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 2.91 11.4 -46.08 1 4 1 28 378.54 5
Hi High (pH 8-9.5) 2.91 9.16 -8.58 0 4 0 27 377.532 5
Mid Mid (pH 6-8) 2.91 13.6 -95.99 2 4 2 29 379.548 5

Activity (Go SEA)

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