UCSF

ZINC34327633

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 9 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) -0.22 -0.19 -54.89 3 3 1 64 140.191 1
Hi High (pH 8-9.5) -0.22 -0.58 -10.04 2 3 0 63 139.183 1

Activity (Go SEA)

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