UCSF

ZINC00093629

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.40 1.43 -10.14 0 6 0 61 322.727 2
Mid Mid (pH 6-8) 2.40 1.71 -38.13 1 6 1 63 323.735 2

Activity (Go SEA)

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