UCSF

ZINC29340073

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 40 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) 6.21 12.55 -271.2 8 6 4 86 532.736 13
Hi High (pH 8-9.5) 6.21 9.86 -56.49 6 6 2 76 530.72 13
Mid Mid (pH 6-8) 6.21 12.77 -130.13 7 6 3 81 531.728 13

Activity (Go SEA)

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