UCSF

ZINC12503275

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 15 Yes

CAS Number: 54-12-6

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) -1.22 3.35 -75.44 4 4 1 82 205.237 3
Hi High (pH 8-9.5) -1.22 3 -50.37 3 4 0 80 204.229 3

Activity (Go SEA)

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