UCSF

ZINC21992914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 33 No

CAS Number: 27740-01- 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) 0.07 -3.53 -64.05 6 12 -1 210 461.355 4
Hi High (pH 8-9.5) 0.07 -2.94 -121.27 5 12 -2 213 460.347 4

Activity (Go SEA)

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