UCSF

ZINC03318337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 31 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) 5.17 -1.96 -10.95 2 5 0 68 429.545 4
Lo Low (pH 4.5-6) 5.17 -1.84 -32.24 3 5 1 69 430.553 4

Activity (Go SEA)

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