UCSF

ZINC36125490

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 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) 2.21 9.98 -16.19 1 8 0 86 394.431 7
Mid Mid (pH 6-8) 2.21 10.45 -34.34 2 8 1 87 395.439 7

Activity (Go SEA)

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