UCSF

ZINC35312727

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 26 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) 0.90 2.52 -18.86 3 7 0 96 378.498 5
Mid Mid (pH 6-8) 0.90 4.67 -59.18 4 7 1 97 379.506 5

Activity (Go SEA)

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