UCSF

ZINC32135705

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.86 6.34 -42.5 0 2 -1 40 193.247 3
Mid Mid (pH 6-8) 1.67 6.4 -13.47 0 2 0 34 194.255 4

Activity (Go SEA)

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