UCSF

ZINC70655358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 14 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) 1.73 6.99 -40.84 1 2 1 22 196.314 1
Hi High (pH 8-9.5) 1.73 4.48 -3.7 0 2 0 20 195.306 1

Activity (Go SEA)

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