UCSF

ZINC39927699

Substance Information

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

CAS Number: 887976-52-5

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) 2.99 8.36 -46.31 0 3 -1 53 226.255 2
Lo Low (pH 4.5-6) 2.99 8.76 -34.35 1 3 0 54 227.263 2

Activity (Go SEA)

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