UCSF

ZINC36159838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 2.95 8.14 -45.87 3 5 1 70 362.519 5
Hi High (pH 8-9.5) 3.40 6.16 -47.91 2 5 0 74 361.511 5
Hi High (pH 8-9.5) 2.95 5.83 -9.97 2 5 0 69 361.511 5

Activity (Go SEA)

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