UCSF

ZINC44264238

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 13 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) -1.00 1.8 -49.8 4 4 1 69 177.231 2
Hi High (pH 8-9.5) -1.00 1.57 -7.29 3 4 0 68 176.223 2

Activity (Go SEA)

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