UCSF

ZINC30742566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 34 No

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) 2.30 6.86 -67.93 2 10 1 111 491.59 9
Mid Mid (pH 6-8) 2.30 4.52 -24.51 1 10 0 110 490.582 9

Activity (Go SEA)

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