UCSF

ZINC06848997

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 21 No

Other Names:

MFCD05177331

QA-6007

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) 3.81 8.81 -11.23 0 4 0 44 280.327 3
Mid Mid (pH 6-8) 3.81 9.23 -32.3 1 4 1 45 281.335 3

Activity (Go SEA)

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