UCSF

ZINC04114964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 31 No

Other Names:

MFCD03213535

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) 3.94 1.26 -12.51 1 6 0 79 423.509 6
Mid Mid (pH 6-8) 3.35 1.04 -19.68 0 6 0 76 423.509 6

Activity (Go SEA)

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