UCSF

ZINC04314428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 26 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) 1.98 12.81 -17.28 0 9 0 93 361.402 5
Mid Mid (pH 6-8) 1.98 13.29 -36.48 1 9 1 94 362.41 5

Activity (Go SEA)

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