UCSF

ZINC34921063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 2.04 7.1 -58.34 2 7 1 72 430.569 6
Hi High (pH 8-9.5) 2.23 4.09 -38.29 1 7 0 79 429.561 6

Activity (Go SEA)

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