UCSF

ZINC06864031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 25 Yes

CAS Number: 189341-61-5

Other Names:

MFCD01631653

Trt-dab acoh

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) 4.29 -1.2 -102.33 5 2 2 44 332.491 8

Activity (Go SEA)

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