UCSF

ZINC34960991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 2.60 4.81 -53.03 2 4 -1 72 242.254 4
Lo Low (pH 4.5-6) 2.60 2.83 -9.14 3 4 0 70 243.262 4

Activity (Go SEA)

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