UCSF

ZINC25898229

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 30 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) 3.60 8.38 -53.38 3 6 1 83 430.594 8
Hi High (pH 8-9.5) 3.60 7.23 -14.03 2 6 0 79 429.586 8

Activity (Go SEA)

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