UCSF

ZINC06316404

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 2.19 -0.71 -15.61 1 5 0 93 283.312 3
Hi High (pH 8-9.5) 2.19 -0.13 -35.89 0 5 -1 95 282.304 3

Activity (Go SEA)

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