UCSF

ZINC03965593

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 17 No

CAS Number: 1214-47-7

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) 3.75 7.57 -9.6 1 2 0 37 224.259 3
Hi High (pH 8-9.5) 3.75 8.58 -55.17 0 2 -1 40 223.251 3

Activity (Go SEA)

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