UCSF

ZINC02792753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 26 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) 2.01 5.82 -53.84 1 7 -1 88 382.347 4
Mid Mid (pH 6-8) 1.55 7.15 -27.05 2 7 0 85 383.355 4

Activity (Go SEA)

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