UCSF

ZINC34677111

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 2.16 5.39 -95.57 4 8 2 87 511.589 10
Mid Mid (pH 6-8) 2.16 3.12 -41.65 3 8 1 86 510.581 10

Activity (Go SEA)

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