UCSF

ZINC12401888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 25 Yes

CAS Number:

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) 3.51 -1.27 -12.05 2 4 0 58 340.467 4

Activity (Go SEA)

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