UCSF

ZINC34955928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 4.01 3.86 -9.85 1 4 0 58 421.11 3
Hi High (pH 8-9.5) 4.01 4.61 -48.16 0 4 -1 60 420.102 3

Activity (Go SEA)

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