UCSF

ZINC36899419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 2.88 8.8 -7.27 2 3 0 44 245.232 1
Mid Mid (pH 6-8) 2.88 9.27 -29.97 3 3 1 45 246.24 1

Activity (Go SEA)

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