UCSF

ZINC41864033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 18 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) 1.21 8.18 -43.86 1 3 1 25 245.346 1
Mid Mid (pH 6-8) 1.21 5.83 -8.25 0 3 0 24 244.338 1

Activity (Go SEA)

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