UCSF

ZINC69153633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) 1.71 5.21 -44.98 2 7 1 72 276.368 4
Hi High (pH 8-9.5) 1.71 3.01 -7.57 1 7 0 71 275.36 4
Lo Low (pH 4.5-6) 1.71 5.68 -107.07 3 7 2 74 277.376 4

Activity (Go SEA)

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