UCSF

ZINC41681073

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.19 4.79 -39.13 4 4 1 61 268.406 6
Mid Mid (pH 6-8) 2.19 4.47 -11.67 3 4 0 60 267.398 6

Activity (Go SEA)

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