UCSF

ZINC32541106

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 36 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) 4.42 14.21 -57.44 2 6 1 66 480.636 8
Mid Mid (pH 6-8) 4.43 11.98 -12.14 1 6 0 65 479.628 8

Activity (Go SEA)

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