UCSF

ZINC44205119

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 22 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) 2.31 7.74 -41.04 3 6 1 69 303.386 8
Mid Mid (pH 6-8) 2.31 7.22 -13.9 2 6 0 68 302.378 8

Activity (Go SEA)

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