UCSF

ZINC23398012

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 35 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) 3.01 10.22 -67.11 2 9 1 89 492.526 8
Hi High (pH 8-9.5) 3.01 7.95 -22.04 1 9 0 88 491.518 8

Activity (Go SEA)

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