UCSF

ZINC44828222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 0.97 5.46 -40.52 2 4 1 57 222.312 4
Hi High (pH 8-9.5) 1.15 3.42 -35.26 1 4 0 64 221.304 4

Activity (Go SEA)

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