UCSF

ZINC39958417

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 17 Yes

CAS Number: 389888-02-2

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) -3.30 1.4 -33.13 4 7 0 123 239.231 3
Hi High (pH 8-9.5) -3.30 1.09 -44.41 3 7 -1 121 238.223 3

Activity (Go SEA)

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