UCSF

ZINC51217891

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 33 Yes

CAS Number: 1130067-06-9

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) 4.55 12.53 -55.17 3 6 1 71 463.989 5
Hi High (pH 8-9.5) 4.55 10.24 -16.85 2 6 0 70 462.981 5

Activity (Go SEA)

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