UCSF

ZINC31702886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 16 No

CAS Number: 6402-36-4

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) 3.13 7.56 -102.24 0 4 -2 80 226.272 10
Lo Low (pH 4.5-6) 3.13 6.44 -55.6 1 4 -1 77 227.28 10

Activity (Go SEA)

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