UCSF

ZINC05837198

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 20 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) 1.10 7.21 -18.7 1 5 0 72 268.272 3
Hi High (pH 8-9.5) 2.40 6.07 -47.84 0 5 -1 75 267.264 3

Activity (Go SEA)

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