UCSF

ZINC34948811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) -0.18 10.49 -101 4 10 -1 167 429.453 8
Hi High (pH 8-9.5) -0.18 10.58 -122.28 3 10 -2 166 428.445 8
Lo Low (pH 4.5-6) -0.18 8.49 -57.05 5 10 0 164 430.461 8

Activity (Go SEA)

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