UCSF

ZINC00600699

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 31 No

CAS Number: 190648-49-8

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) 2.07 -1.23 -17.99 2 9 0 110 436.553 7
Hi High (pH 8-9.5) 2.07 -0.67 -65.26 1 9 -1 113 435.545 7

Activity (Go SEA)

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