UCSF

ZINC24986194

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 28 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) 1.30 5.6 -43.32 4 7 1 91 386.451 3
Hi High (pH 8-9.5) 1.30 5.13 -14.66 3 7 0 90 385.443 3
Mid Mid (pH 6-8) 1.30 6.26 -55.89 4 7 1 95 386.451 3

Activity (Go SEA)

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