UCSF

ZINC35136118

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 Yes

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) 1.97 3.48 -47.76 3 4 1 59 276.154 5
Hi High (pH 8-9.5) 1.97 2.12 -10.02 2 4 0 54 275.146 5

Activity (Go SEA)

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