UCSF

ZINC37812570

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 No

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Annotations

None

Vendors

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) 0.09 4.5 -96.47 3 4 2 41 243.376 1
Mid Mid (pH 6-8) 0.09 3.43 -45.06 2 4 1 37 242.368 1
Mid Mid (pH 6-8) 0.09 1.21 -9.1 1 4 0 36 241.36 1
Mid Mid (pH 6-8) 0.09 2.26 -39.64 2 4 1 40 242.368 1

Activity (Go SEA)

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