UCSF

ZINC16602998

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 21 Yes

CAS Number:

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) 3.48 8.75 -39.18 2 3 1 34 291.459 3
Hi High (pH 8-9.5) 3.34 3.92 -4.66 1 3 0 36 290.451 3

Activity (Go SEA)

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