UCSF

ZINC36146959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 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) 3.02 9.02 -15.44 1 7 0 72 437.569 9
Mid Mid (pH 6-8) 3.02 11.3 -50.9 2 7 1 73 438.577 9

Activity (Go SEA)

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