UCSF

ZINC04098891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 11 Yes

CAS Number: 131580-36-4

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) -1.26 -11.12 -7.8 4 4 0 72 159.185 0

Activity (Go SEA)

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