UCSF

ZINC44260398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 2.23 4.03 -117.95 0 6 -2 101 308.29 4
Mid Mid (pH 6-8) 2.23 3.98 -58.21 1 6 -1 99 309.298 4

Activity (Go SEA)

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