UCSF

ZINC32252020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 13 No

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) 0.18 6.99 -23.35 0 4 0 60 186.207 7
Hi High (pH 8-9.5) 0.93 5.99 -53.52 0 4 -1 66 185.199 6

Activity (Go SEA)

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