UCSF

ZINC44243631

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 0.97 1.19 -47.64 3 5 1 76 323.236 7
Hi High (pH 8-9.5) 0.97 0.81 -45.53 2 5 0 78 322.228 7

Activity (Go SEA)

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