UCSF

ZINC45701338

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) -0.28 2.52 -95.09 5 4 2 64 203.33 8
Hi High (pH 8-9.5) -0.28 1.18 -37.62 4 4 1 60 202.322 8

Activity (Go SEA)

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