UCSF

ZINC45689238

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.70 6.27 -83.21 4 4 2 48 224.352 6
Hi High (pH 8-9.5) 1.70 3.32 -4.57 2 4 0 45 222.336 6
Hi High (pH 8-9.5) 1.70 5.8 -38.61 3 4 1 47 223.344 6

Activity (Go SEA)

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