UCSF

ZINC31308800

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 32 No

CAS Number: 12269-82-8

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) 3.83 7.63 -47.19 3 7 -1 129 449.508 6

Activity (Go SEA)

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