UCSF

ZINC34685633

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 3.93 11.8 -21.38 0 6 0 53 467.585 6
Mid Mid (pH 6-8) 3.93 14.16 -59.98 1 6 1 54 468.593 6

Activity (Go SEA)

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