UCSF

ZINC04489632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 26 Yes

CAS Number: 119477-85-9

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) 4.16 5.79 -8.1 3 4 0 74 361.526 14
Lo Low (pH 4.5-6) 4.16 5.68 -35.37 4 4 1 75 362.534 14

Activity (Go SEA)

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