UCSF

ZINC03873159

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 30 Yes

CAS Number: 68236-11-3

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) 5.74 8.12 -9.48 3 5 0 87 408.494 5
Hi High (pH 8-9.5) 5.74 9.11 -54.29 2 5 -1 90 407.486 5

Activity (Go SEA)

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