UCSF

ZINC36886107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 0.08 5.4 -31.81 2 5 0 74 268.235 8
Hi High (pH 8-9.5) 0.08 3.53 -46.94 1 5 -1 72 267.227 8

Activity (Go SEA)

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