UCSF

ZINC01744449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

CAS Number: 13391-35-0

Other Names:

MFCD00059326

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) 2.69 1.68 -4.29 0 2 0 18 164.204 4

Activity (Go SEA)

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