UCSF

ZINC53194968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.24 5.71 -13.22 0 6 0 62 361.449 3
Mid Mid (pH 6-8) 1.24 5.72 -41.02 1 6 1 63 362.457 3
Lo Low (pH 4.5-6) 1.24 7.95 -46.4 1 6 1 63 362.457 3

Activity (Go SEA)

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