UCSF

ZINC35991541

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 30 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) 3.15 8.03 -41.28 2 8 1 76 417.53 8
Mid Mid (pH 6-8) 3.15 5.71 -8.4 1 8 0 74 416.522 8
Mid Mid (pH 6-8) 3.15 7.73 -39.17 2 8 1 76 417.53 8

Activity (Go SEA)

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