UCSF

ZINC13750240

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 27 No

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) 5.00 9.26 -44.81 0 5 -1 63 381.477 6
Ref Reference (pH 7) 5.49 9.74 -10.19 1 5 0 64 382.485 5
Lo Low (pH 4.5-6) 5.00 9.97 -16.02 1 5 0 60 382.485 6

Activity (Go SEA)

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