UCSF

ZINC42867692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 2.15 3.59 -36.21 2 3 1 33 242.412 7
Mid Mid (pH 6-8) 2.15 5.94 -98.95 3 3 2 34 243.42 7

Activity (Go SEA)

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